magnesium;1-methoxy-3-propylbenzene;bromide

C10H13BrMgO — CID 14861069

IUPACmagnesium;1-methoxy-3-propylbenzene;bromide
SMILES[Br-].[CH2-]CCc1cccc(OC)c1.[Mg+2]
InChIInChI=1S/C10H13O.BrH.Mg/c1-3-5-9-6-4-7-10(8-9)11-2;;/h4,6-8H,1,3,5H2,2H3;1H;/q-1;;+2/p-1
InChIKeyWRLHMZBPRYWTFF-UHFFFAOYSA-M
MW253.42 g/mol
LogP-0.91
Rot. Bonds3

About magnesium;1-methoxy-3-propylbenzene;bromide

magnesium;1-methoxy-3-propylbenzene;bromide (PubChem CID 14861069) has the molecular formula C10H13BrMgO and a molecular weight of 253.42 g/mol. Its IUPAC name is magnesium;1-methoxy-3-propylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-methoxy-3-propylbenzene;bromide
PubChem CID14861069
Molecular FormulaC10H13BrMgO
Molecular Weight253.42 g/mol
Exact Mass252.00
IUPAC Namemagnesium;1-methoxy-3-propylbenzene;bromide
SMILES[Br-].[CH2-]CCc1cccc(OC)c1.[Mg+2]
InChIInChI=1S/C10H13O.BrH.Mg/c1-3-5-9-6-4-7-10(8-9)11-2;;/h4,6-8H,1,3,5H2,2H3;1H;/q-1;;+2/p-1
InChIKeyWRLHMZBPRYWTFF-UHFFFAOYSA-M
XLogP-0.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-propylbenzene
CID 14270128
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-methoxyphenyl)methanethiol
CID 10749403
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxy-3-propylbenzene;bromide?
The IUPAC name of magnesium;1-methoxy-3-propylbenzene;bromide (CID 14861069) is magnesium;1-methoxy-3-propylbenzene;bromide.
What is the SMILES notation for magnesium;1-methoxy-3-propylbenzene;bromide?
The canonical SMILES for magnesium;1-methoxy-3-propylbenzene;bromide is [Br-].[CH2-]CCc1cccc(OC)c1.[Mg+2].
What is the InChIKey of magnesium;1-methoxy-3-propylbenzene;bromide?
The InChIKey is WRLHMZBPRYWTFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O.BrH.Mg/c1-3-5-9-6-4-7-10(8-9)11-2;;/h4,6-8H,1,3,5H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methoxy-3-propylbenzene;bromide?
magnesium;1-methoxy-3-propylbenzene;bromide has a molecular weight of 253.42 g/mol, XLogP of -0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxy-3-propylbenzene;bromide is sourced from PubChem (CID 14861069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).